N2-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-4-methylsulfanyl-benzene-1,2-diamine chloride

Systemtic Name: N2-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-4-methylsulfanyl-benzene-1,2-diamine chloride Openeye Name: N2-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-4-methylsulfanyl-benzene-1,2-diamine chloride CAS Name: N2-[2-(1-methyl-1-piperidin-1-iumyl)ethyl]-4-(methylthio)benzene-1,2-diamine chloride IUPAC Name: 2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-4-methylsulfanylbenzene-1,2-diamine chloride Traditional Name: [2-amino-5-(methylthio)phenyl]-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]amine chloride Formula: C15H26ClN3S MolecularWeight: 315.90504

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCNC2=C(C=CC(=C2)SC)N.[Cl-]

Isomeric SMILES

C[N+]1(CCCCC1)CCNC2=C(C=CC(=C2)SC)N.[Cl-]

InChI

InChI=1S/C15H26N3S.ClH/c1-18(9-4-3-5-10-18)11-8-17-15-12-13(19-2)6-7-14(15)16;/h6-7,12,17H,3-5,8-11,16H2,1-2H3;1H/q+1;/p-1